2-dibenzofuran-1-yl-4-(6-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

C43H27N3O2 — CID 170221616

IUPAC2-dibenzofuran-1-yl-4-(6-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESC1=C(c2nc(-c3ccccc3)nc(-c3cccc4oc5ccccc5c34)n2)c2c(oc3c(-c4ccc5ccccc5c4)cccc23)CC1
InChIInChI=1S/C43H27N3O2/c1-2-12-27(13-3-1)41-44-42(33-18-9-21-36-38(33)31-15-6-7-20-35(31)47-36)46-43(45-41)34-19-10-22-37-39(34)32-17-8-16-30(40(32)48-37)29-24-23-26-11-4-5-14-28(26)25-29/h1-9,11-21,23-25H,10,22H2
InChIKeyBKDUENVXULLUTD-UHFFFAOYSA-N
MW617.71 g/mol
LogP11.05
Rot. Bonds4

About 2-dibenzofuran-1-yl-4-(6-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

2-dibenzofuran-1-yl-4-(6-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 170221616) has the molecular formula C43H27N3O2 and a molecular weight of 617.71 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(6-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-(6-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
PubChem CID170221616
Molecular FormulaC43H27N3O2
Molecular Weight617.71 g/mol
Exact Mass617.21
IUPAC Name2-dibenzofuran-1-yl-4-(6-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESC1=C(c2nc(-c3ccccc3)nc(-c3cccc4oc5ccccc5c34)n2)c2c(oc3c(-c4ccc5ccccc5c4)cccc23)CC1
InChIInChI=1S/C43H27N3O2/c1-2-12-27(13-3-1)41-44-42(33-18-9-21-36-38(33)31-15-6-7-20-35(31)47-36)46-43(45-41)34-19-10-22-37-39(34)32-17-8-16-30(40(32)48-37)29-24-23-26-11-4-5-14-28(26)25-29/h1-9,11-21,23-25H,10,22H2
InChIKeyBKDUENVXULLUTD-UHFFFAOYSA-N
XLogP11.05
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.71
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-dibenzothiophen-1-yldibenzofuran-1-yl)-4-(3,4-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 170011502
2-(3,4-dihydrodibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 167007462
2-(3,4-dihydrodibenzofuran-1-yl)-4-[4-(8-naphthalen-2-yldibenzofuran-1-yl)-2,3-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 167007605
2-dibenzofuran-1-yl-4-[3-(5-naphthalen-2-ylnaphthalen-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 176766280
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164972990
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743569
2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858
2,4-di(dibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163874534
2-dibenzofuran-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-8-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170016879
2-dibenzofuran-3-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741074
2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742622
2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588100

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-(6-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-(6-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (CID 170221616) is 2-dibenzofuran-1-yl-4-(6-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-(6-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-(6-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is C1=C(c2nc(-c3ccccc3)nc(-c3cccc4oc5ccccc5c34)n2)c2c(oc3c(-c4ccc5ccccc5c4)cccc23)CC1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-(6-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is BKDUENVXULLUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3O2/c1-2-12-27(13-3-1)41-44-42(33-18-9-21-36-38(33)31-15-6-7-20-35(31)47-36)46-43(45-41)34-19-10-22-37-39(34)32-17-8-16-30(40(32)48-37)29-24-23-26-11-4-5-14-28(26)25-29/h1-9,11-21,23-25H,10,22H2.
What are the key properties of 2-dibenzofuran-1-yl-4-(6-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
2-dibenzofuran-1-yl-4-(6-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 617.71 g/mol, XLogP of 11.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-(6-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170221616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).